2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide

C25H25NO4 — CID 9048431

IUPAC2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-17-9-14-23(29-3)22(15-17)18(2)26-24(27)16-30-21-12-10-20(11-13-21)25(28)19-7-5-4-6-8-19/h4-15,18H,16H2,1-3H3,(H,26,27)/t18-/m1/s1
InChIKeyHGVZFRZUOKYZSN-GOSISDBHSA-N
MW403.48 g/mol
LogP4.49
Rot. Bonds8

About 2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 9048431) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID9048431
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25NO4/c1-17-9-14-23(29-3)22(15-17)18(2)26-24(27)16-30-21-12-10-20(11-13-21)25(28)19-7-5-4-6-8-19/h4-15,18H,16H2,1-3H3,(H,26,27)/t18-/m1/s1
InChIKeyHGVZFRZUOKYZSN-GOSISDBHSA-N
XLogP4.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9262553
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262533
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 27787506
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 26752989
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 40795239
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 32564607
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27446204

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 9048431) is 2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1[C@@H](C)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is HGVZFRZUOKYZSN-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25NO4/c1-17-9-14-23(29-3)22(15-17)18(2)26-24(27)16-30-21-12-10-20(11-13-21)25(28)19-7-5-4-6-8-19/h4-15,18H,16H2,1-3H3,(H,26,27)/t18-/m1/s1.
What are the key properties of 2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 9048431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).